SCHEMBL292906

SCHEMBL292906

CC(C)(C)COc1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.36
NUDT1 P36639 3/20 0.36
PDK2 Q15119 1/20 0.34
NQO1 P15559 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13141341 0.83 NQO1 (0.48) XDHNUDT1PDK2NQO1GABRP
SCHEMBL22683407 0.83 BRD4 (0.35) NQO1CYP3A4SMN1; SMN2
SCHEMBL17134252 0.83 ACACB (0.32) NQO1
SCHEMBL17103300 0.81 NQO1 (0.30) NQO1
SCHEMBL12816610 0.80 SMN1; SMN2 (0.38) NQO1CYP3A4SMN1; SMN2
SCHEMBL23202421 0.79 NUDT1 (0.38) NUDT1CYP3A4SMN1; SMN2
SCHEMBL3023792 0.77
SCHEMBL693618 0.77 MAPT (0.47) SMN1; SMN2
SCHEMBL677488 0.76 KCNA3 (0.50) PDK2GABRPGABRDGABRA1GABRB1
SCHEMBL17135410 0.75 PDK2 (0.37) XDHNUDT1PDK2GABRPGABRD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 134 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1976525-A4 PIPERIDINE AND PIPERAZINE DERIVATIVES MS SCIENCE CORP (JP) 2009-07-15 EP claimed
EP-1976525-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M's Science Corporation (JP) 2008-10-08 EP claimed
WO-2007089462-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES M'S SCIENCE CORPORATION (JP) 2007-08-09 WO claimed
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-07-04 US disclosed
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-04-16 US disclosed
US-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2023-06-13 US disclosed
CN-110473989-B Method for manufacturing organic light emitting element 株式会社LG化学 2022-05-27 CN disclosed
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE IDEMITSU KOSAN CO., LTD. (JP) 2021-12-02 US disclosed
US-11147821-B2 Drug for preventing and/or treating polycystic kidney disease OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2021-10-19 US disclosed
US-11152574-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2021-10-19 US disclosed
US-11094888-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle IDEMITSU KOSAN CO., LTD. (JP) 2021-08-17 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
EP-1221434-A1 HYDROCARBON COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND ORGANIC ELECTROLUMINESCENT ELEMENT Mitsui Chemicals, Inc. (JP) 2002-07-10 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 WO disclosed
US-6051569-A 1'S, 5R, 6R-carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 2000-04-18 US disclosed
EP-0826687-A1 Carbapenem derivatives and antimicrobial agents comprising the same SUNTORY LIMITED (JP) 1998-03-04 EP disclosed
EP-0243173-B1 NEW DIPHOSPHONIC ACID COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed
US-4963536-A INHIBIT BONE RESORPTION FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
US-4857513-A Diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISIWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
EP-0243173-A2 New diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11152574-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPL21, RPS21, AOC2 XDH 349/4885NUDT1 202/4885PDK2 1319/4885
US-11678571-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle RPS17, RPS19, CDK17 XDH 1985/4885NUDT1 384/4885PDK2 1766/4885
US-11147821-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 XDH 3895/4885NUDT1 4296/4885PDK2 915/4885
US-11094888-B2 Organic electroluminescent device using aryl amine derivative containing heterocycle SLC18A1, SLC18A2, AOC2 XDH 427/4885NUDT1 73/4885PDK2 833/4885
US-11957691-B2 Drug for preventing and/or treating polycystic kidney disease PKD1, PKD2, SSTR5 XDH 3895/4885NUDT1 4296/4885PDK2 915/4885
US-20240216389-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE PKD1, PKD2, SSTR5 XDH 3895/4885NUDT1 4296/4885PDK2 915/4885
US-20210376247-A1 ORGANIC ELECTROLUMINESCENT DEVICE USING ARYL AMINE DERIVATIVE CONTAINING HETEROCYCLE RPS17, RPS19, CDK17 XDH 1985/4885NUDT1 384/4885PDK2 1766/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.